2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

C14H16FN3O — CID 82762337

IUPAC2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCC1(c2nc(-c3ccc(F)cc3)no2)CCCC1N
InChIInChI=1S/C14H16FN3O/c1-14(8-2-3-11(14)16)13-17-12(18-19-13)9-4-6-10(15)7-5-9/h4-7,11H,2-3,8,16H2,1H3
InChIKeyPLVQOUBNWCOVHH-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.64
Rot. Bonds2

About 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (PubChem CID 82762337) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
PubChem CID82762337
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCC1(c2nc(-c3ccc(F)cc3)no2)CCCC1N
InChIInChI=1S/C14H16FN3O/c1-14(8-2-3-11(14)16)13-17-12(18-19-13)9-4-6-10(15)7-5-9/h4-7,11H,2-3,8,16H2,1H3
InChIKeyPLVQOUBNWCOVHH-UHFFFAOYSA-N
XLogP2.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82763018
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82763318
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 106847559
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 83211082
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764126
2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 113454327
2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82762268
2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82763990
2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 83214399
4-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66249734
2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764104
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]bicyclo[1.1.1]pentan-1-amine
CID 163366852

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (CID 82762337) is 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is CC1(c2nc(-c3ccc(F)cc3)no2)CCCC1N.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The InChIKey is PLVQOUBNWCOVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-14(8-2-3-11(14)16)13-17-12(18-19-13)9-4-6-10(15)7-5-9/h4-7,11H,2-3,8,16H2,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine has a molecular weight of 261.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82762337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).